2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C20H11Cl2F3N2O4 — CID 10298928

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30)
InChIKeyGHGWFHNLJMNKRD-UHFFFAOYSA-N
MW471.22 g/mol
LogP6.15
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 10298928) has the molecular formula C20H11Cl2F3N2O4 and a molecular weight of 471.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID10298928
Molecular FormulaC20H11Cl2F3N2O4
Molecular Weight471.22 g/mol
Exact Mass470.00
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30)
InChIKeyGHGWFHNLJMNKRD-UHFFFAOYSA-N
XLogP6.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.22
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 10298928) is 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is GHGWFHNLJMNKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid has a molecular weight of 471.22 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 10298928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).